2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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![2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b8a7026ced544a0292cdae3971b205b4.png "2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate")
2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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CAS No:
880422-43-5
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Formula:
C21H24N2O5
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Chemical Name:
2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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Synonyms:
ZINC3365488;AKOS033502589;MCULE-1547092715;Z16503220;4-ethyl 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;880422-43-5
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CAS No:
2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Basic Attributes
384.4 g/mol
384.16852187 g/mol
Computed Properties
Molecular Weight:384.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:384.16852187
Monoisotopic Mass:384.16852187
Topological Polar Surface Area:88.7
Heavy Atom Count:28
Complexity:595
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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